NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
481315 |
1bla   |
4091 | cing | recoord | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1bla
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 182
_Stereo_assign_list.Swap_count 23
_Stereo_assign_list.Swap_percentage 12.6
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 1
_Stereo_assign_list.Total_e_low_states 59.365
_Stereo_assign_list.Total_e_high_states 873.453
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 6 ILE QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 LEU QB 179 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 9 LEU QD 149 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 10 PRO QB 152 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 10 PRO QD 74 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 12 LEU QD 148 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 13 PRO QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 PRO QD 51 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 14 GLU QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 PHE QB 126 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 21 PHE QE 182 yes 100.0 100.0 2.832 2.832 0.000 1 1 no 0.000 0 0
1 22 PRO QB 125 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 22 PRO QD 56 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 23 PRO QB 130 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 23 PRO QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 HIS QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 PHE QB 118 no 100.0 100.0 1.287 1.287 0.000 6 2 no 0.000 0 0
1 26 PHE QD 50 yes 100.0 100.0 6.374 6.374 0.000 12 4 no 0.000 0 0
1 26 PHE QE 117 yes 100.0 100.0 7.600 7.600 0.000 6 2 no 0.000 0 0
1 28 ASP QB 124 no 100.0 100.0 0.020 0.020 0.000 6 4 no 0.000 0 0
1 29 PRO QB 60 no 100.0 100.0 0.418 0.418 0.000 11 1 no 0.000 0 0
1 29 PRO QD 72 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 29 PRO QG 116 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 30 LYS QB 62 no 100.0 100.0 0.648 0.648 0.000 11 3 no 0.008 0 0
1 31 ARG QB 69 no 100.0 100.0 0.678 0.678 0.000 10 0 no 0.000 0 0
1 32 LEU QB 14 no 100.0 1.5 0.332 22.765 22.433 22 14 no 0.000 0 0
1 32 LEU QD 10 no 100.0 61.0 0.031 0.050 0.020 30 20 no 0.000 0 0
1 33 TYR QB 47 no 100.0 100.0 0.044 0.044 0.000 12 2 no 0.000 0 0
1 34 CYS QB 67 no 100.0 100.0 1.908 1.908 0.000 11 6 no 0.000 0 0
1 35 LYS QB 53 no 100.0 100.0 0.586 0.586 0.000 12 6 no 0.000 0 0
1 35 LYS QD 123 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 35 LYS QG 115 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 36 ASN QB 96 no 100.0 100.0 0.779 0.779 0.000 7 0 no 0.000 0 0
1 37 GLY QA 86 no 100.0 47.9 4.232 8.842 4.609 8 3 no 0.000 0 0
1 38 GLY QA 95 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 39 PHE QB 73 no 100.0 100.0 0.195 0.195 0.000 10 5 no 0.000 0 0
1 39 PHE QD 20 yes 100.0 100.0 51.288 51.288 0.000 18 7 no 0.011 0 0
1 39 PHE QE 110 yes 100.0 100.0 27.685 27.685 0.000 6 1 no 0.000 0 0
1 40 PHE QB 36 no 100.0 100.0 0.136 0.136 0.000 14 1 no 0.000 0 0
1 40 PHE QD 180 no 100.0 100.0 2.595 2.595 0.000 1 0 no 0.000 0 0
1 41 LEU QB 57 no 100.0 100.0 0.460 0.460 0.000 12 9 no 0.000 0 0
1 41 LEU QD 2 no 100.0 65.6 1.954 2.980 1.026 41 25 no 0.000 0 0
1 42 ARG QB 61 no 100.0 100.0 1.209 1.209 0.000 11 2 no 0.009 0 0
1 42 ARG QD 178 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 44 HIS QB 39 no 100.0 100.0 0.077 0.077 0.000 14 5 no 0.000 0 0
1 45 PRO QB 81 no 100.0 100.0 0.547 0.547 0.000 9 4 no 0.000 0 0
1 45 PRO QD 55 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 45 PRO QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 ASP QB 129 no 100.0 100.0 0.017 0.017 0.000 5 0 no 0.000 0 0
1 47 GLY QA 68 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 48 ARG QB 59 no 100.0 100.0 1.899 1.899 0.000 11 1 no 0.000 0 0
1 48 ARG QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 VAL QG 3 no 100.0 100.0 0.142 0.142 0.000 34 10 no 0.000 0 0
1 50 ASP QB 94 no 100.0 100.0 0.468 0.468 0.000 7 0 no 0.000 0 0
1 51 GLY QA 43 no 100.0 0.0 0.000 0.000 0.000 14 9 no 0.000 0 0
1 52 VAL QG 7 no 100.0 100.0 0.224 0.224 0.000 31 12 no 0.000 0 0
1 53 ARG QB 65 no 100.0 100.0 0.114 0.114 0.000 11 5 no 0.000 0 0
1 53 ARG QD 122 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 53 ARG QG 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 54 GLU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 55 LYS QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 ASP QB 114 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 58 PRO QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 PRO QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 HIS QB 139 no 100.0 100.0 0.007 0.007 0.000 4 0 no 0.000 0 0
1 61 LYS QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 LYS QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 LEU QB 29 no 100.0 100.0 0.861 0.861 0.000 15 6 no 0.000 0 0
1 62 LEU QD 6 no 100.0 0.0 0.000 0.000 0.000 31 11 no 0.000 0 0
1 63 GLN QB 99 no 100.0 100.0 0.286 0.286 0.000 7 1 no 0.000 0 0
1 64 LEU QB 88 no 100.0 100.0 0.009 0.009 0.000 8 5 no 0.000 0 0
1 64 LEU QD 8 no 100.0 84.1 10.615 12.618 2.003 30 15 no 0.000 0 0
1 65 GLN QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 GLU QB 145 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 68 GLU QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 GLY QA 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 VAL QG 12 no 100.0 86.3 11.520 13.351 1.832 24 10 no 0.000 0 0
1 73 SER QB 147 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 75 LYS QB 119 no 100.0 100.0 0.048 0.048 0.000 6 3 no 0.000 0 0
1 75 LYS QE 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 GLY QA 64 no 100.0 0.0 0.000 0.000 0.000 11 5 no 0.000 0 0
1 77 VAL QG 16 no 100.0 100.0 0.342 0.342 0.000 20 7 no 0.000 0 0
1 80 ASN QB 107 no 100.0 100.0 0.347 0.347 0.000 6 0 no 0.000 0 0
1 81 ARG QB 35 no 100.0 100.0 0.128 0.128 0.000 14 0 no 0.003 0 0
1 81 ARG QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 TYR QB 41 no 100.0 23.6 0.097 0.413 0.316 14 8 no 0.000 0 0
1 82 TYR QD 31 yes 100.0 100.0 23.767 23.767 0.000 15 7 no 0.000 0 0
1 82 TYR QE 80 yes 100.0 100.0 17.331 17.331 0.000 9 4 no 0.000 0 0
1 83 LEU QB 28 no 100.0 0.0 0.000 0.000 0.000 15 6 no 0.000 0 0
1 83 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 33 13 no 0.000 0 0
1 85 MET QB 77 yes 100.0 68.1 15.685 23.049 7.364 9 3 no 0.000 0 0
1 85 MET QG 70 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 86 LYS QB 23 no 100.0 100.0 0.020 0.020 0.000 16 7 no 0.000 0 0
1 86 LYS QE 75 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 86 LYS QG 89 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 88 ASP QB 162 no 100.0 100.0 0.007 0.007 0.000 2 0 no 0.000 0 0
1 89 GLY QA 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 ARG QB 121 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 90 ARG QD 146 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 91 LEU QB 181 no 100.0 100.0 2.539 2.539 0.000 1 1 no 0.000 0 0
1 91 LEU QD 19 no 100.0 0.0 0.000 0.584 0.584 19 13 no 0.000 0 0
1 92 LEU QB 87 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 92 LEU QD 13 no 100.0 0.0 0.000 0.000 0.000 22 9 no 0.000 0 0
1 94 SER QB 144 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 95 LYS QB 93 no 100.0 100.0 0.135 0.135 0.000 7 0 no 0.000 0 0
1 95 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 96 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 VAL QG 18 no 100.0 0.0 0.000 0.000 0.000 20 13 no 0.000 0 0
1 100 GLU QB 92 no 100.0 100.0 0.021 0.021 0.000 7 0 no 0.000 0 0
1 100 GLU QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 CYS QB 45 no 100.0 100.0 0.331 0.331 0.000 13 4 no 0.000 0 0
1 102 PHE QB 63 no 100.0 100.0 1.465 1.465 0.000 11 4 no 0.000 0 0
1 102 PHE QD 52 yes 100.0 100.0 29.723 29.723 0.000 12 5 no 0.007 0 0
1 102 PHE QE 85 yes 100.0 100.0 12.308 12.308 0.000 8 1 no 0.000 0 0
1 103 PHE QB 54 no 100.0 100.0 0.373 0.373 0.000 12 7 no 0.000 0 0
1 103 PHE QD 44 no 100.0 100.0 34.316 34.316 0.000 13 3 no 0.000 0 0
1 103 PHE QE 79 no 100.0 100.0 3.180 3.180 0.000 9 4 no 0.000 0 0
1 104 PHE QB 101 no 100.0 100.0 0.264 0.264 0.000 7 2 no 0.000 0 0
1 104 PHE QD 48 yes 100.0 100.0 10.314 10.314 0.000 12 3 no 0.000 0 0
1 104 PHE QE 128 yes 100.0 100.0 18.197 18.197 0.000 5 0 no 0.000 0 0
1 105 GLU QB 66 no 100.0 100.0 0.157 0.157 0.000 11 6 no 0.000 0 0
1 106 ARG QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 LEU QB 131 yes 100.0 53.3 3.233 6.065 2.832 5 1 no 0.000 0 0
1 108 GLU QB 113 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 111 ASN QB 100 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 112 TYR QB 42 no 100.0 100.0 1.317 1.317 0.000 14 9 no 0.000 0 0
1 112 TYR QD 15 yes 100.0 100.0 76.632 76.632 0.000 21 10 no 0.000 0 0
1 112 TYR QE 24 yes 100.0 100.0 59.330 59.330 0.000 16 9 no 0.013 0 0
1 113 ASN QB 98 no 100.0 100.0 0.017 0.017 0.000 7 1 no 0.000 0 0
1 115 TYR QB 49 no 100.0 100.0 0.282 0.282 0.000 12 4 no 0.000 0 0
1 115 TYR QD 21 yes 100.0 100.0 35.168 35.168 0.000 18 11 no 0.000 0 0
1 115 TYR QE 34 yes 100.0 100.0 37.549 37.549 0.000 15 9 no 0.000 0 0
1 116 ARG QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 SER QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 118 ARG QB 33 no 100.0 76.4 8.317 10.887 2.570 15 8 no 0.007 0 0
1 118 ARG QD 120 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 119 LYS QB 91 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 119 LYS QE 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 LYS QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 TYR QB 84 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 120 TYR QD 153 yes 100.0 100.0 6.979 6.979 0.000 3 1 no 0.000 0 0
1 120 TYR QE 176 yes 100.0 100.0 16.889 16.889 0.000 2 1 no 0.000 0 0
1 122 SER QB 157 no 100.0 100.0 0.013 0.013 0.000 2 0 no 0.000 0 0
1 123 TRP QB 133 no 100.0 100.0 0.134 0.134 0.000 4 0 no 0.000 0 0
1 124 TYR QB 26 no 100.0 100.0 0.273 0.273 0.000 15 2 no 0.000 0 0
1 124 TYR QD 25 no 100.0 100.0 31.167 31.167 0.000 15 2 no 0.000 0 0
1 124 TYR QE 76 no 100.0 100.0 24.066 24.066 0.000 9 2 no 0.000 0 0
1 125 VAL QG 9 no 100.0 13.6 0.005 0.037 0.032 30 16 no 0.000 0 0
1 127 LEU QB 82 no 100.0 100.0 0.036 0.036 0.000 9 5 no 0.000 0 0
1 127 LEU QD 1 no 100.0 59.3 1.368 2.306 0.938 41 23 no 0.000 0 0
1 128 LYS QB 97 no 100.0 100.0 0.203 0.203 0.000 7 1 no 0.000 0 0
1 131 GLY QA 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 GLN QB 112 no 100.0 100.0 0.066 0.066 0.000 6 2 no 0.000 0 0
1 133 TYR QB 30 no 100.0 100.0 0.426 0.426 0.000 15 7 no 0.000 0 0
1 133 TYR QD 27 yes 100.0 100.0 17.463 17.463 0.000 15 6 no 0.000 0 0
1 133 TYR QE 78 yes 100.0 100.0 50.555 50.555 0.000 9 4 no 0.003 0 0
1 134 LYS QB 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 135 LEU QB 58 no 100.0 63.9 10.789 16.881 6.092 11 1 no 0.000 0 0
1 135 LEU QD 151 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 136 GLY QA 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 137 SER QB 150 no 100.0 100.0 0.245 0.245 0.000 3 0 no 0.000 0 0
1 138 LYS QB 132 no 100.0 100.0 0.026 0.026 0.000 4 0 no 0.000 0 0
1 141 PRO QB 127 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 141 PRO QD 111 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 142 GLY QA 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 GLN QB 83 no 100.0 100.0 0.017 0.017 0.000 8 0 no 0.000 0 0
1 143 GLN QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 LYS QB 37 no 100.0 100.0 0.397 0.397 0.000 14 2 no 0.003 0 0
1 147 LEU QB 71 no 100.0 100.0 0.735 0.735 0.000 10 4 no 0.000 0 0
1 147 LEU QD 11 no 100.0 100.0 2.352 2.352 0.000 27 10 no 0.000 0 0
1 148 PHE QB 40 no 100.0 100.0 2.812 2.812 0.000 14 8 no 0.000 0 0
1 148 PHE QD 17 yes 100.0 91.1 68.483 75.197 6.713 20 10 no 0.000 0 0
1 148 PHE QE 22 yes 100.0 100.0 39.998 39.998 0.000 17 10 no 0.000 0 0
1 149 LEU QB 32 no 100.0 100.0 3.755 3.755 0.000 15 8 no 0.000 0 0
1 149 LEU QD 5 no 100.0 100.0 0.561 0.561 0.000 33 18 no 0.000 0 0
1 150 PRO QD 102 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 150 PRO QG 143 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 151 MET QB 90 no 100.0 100.0 0.345 0.345 0.000 7 0 no 0.000 0 0
1 151 MET QG 38 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 152 SER QB 46 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 154 LYS QB 103 no 100.0 100.0 0.912 0.912 0.000 6 0 no 0.000 0 0
stop_
save_
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